pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1100001335144	QSARToolbox	3	2	CNCC[NH2+]Cc1cc(C[NH2+]CC[NH2+]C)[nH]n1,C[NH2+]CCNCc1cc(C[NH2+]CC[NH2+]C)n[nH]1,CNCC[NH2+]Cc1cc(C[NH2+]CC[NH2+]C)n[nH]1,C[NH2+]CCNCc1cc(C[NH2+]CC[NH2+]C)[nH]n1	CNCC[NH2+]Cc1cc(CNCC[NH2+]C)n[nH]1,C[NH2+]CCNCc1cc(CNCC[NH2+]C)[nH]n1,CNCC[NH2+]Cc1cc(C[NH2+]CCNC)[nH]n1,CNCC[NH2+]Cc1cc(CNCC[NH2+]C)[nH]n1	mol38325	CNCCNCc1cc(CNCCNC)[nH]n1